5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride

C60H60Cl3F6N7O13S3 — CID 158266826

About 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride (PubChem CID 158266826) has the molecular formula C60H60Cl3F6N7O13S3 and a molecular weight of 1403.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride
• PubChem CID: 158266826
• Molecular Formula: C60H60Cl3F6N7O13S3
• Molecular Weight: 1403.72 g/mol
• Exact Mass: 1401.24
• IUPAC Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride
• SMILES: C.CC(C)CCS(=O)(=O)Cl.COC(=O)c1c(F)ccc(N)c1F.COCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F.COCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C23H18ClF2N3O4S.C13H9ClN2.C10H11F2NO5S.C8H7F2NO2.C5H11ClO2S.CH4/c1-33-8-9-34(31,32)29-19-7-6-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-2-4-15(24)5-3-13;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-18-4-5-19(16,17)13-7-3-2-6(11)8(9(7)12)10(14)15;1-13-8(12)6-4(9)2-3-5(11)7(6)10;1-5(2)3-4-9(6,7)8;/h2-7,10-12,29H,8-9H2,1H3,(H,27,28);1-8H,(H,15,16);2-3,13H,4-5H2,1H3,(H,14,15);2-3H,11H2,1H3;5H,3-4H2,1-2H3;1H4
• InChIKey: GINYCRMPYRBXEO-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 308.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1403.72
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride?

The IUPAC name of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride (CID 158266826) is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride.

What is the SMILES notation for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride?

The canonical SMILES for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride is C.CC(C)CCS(=O)(=O)Cl.COC(=O)c1c(F)ccc(N)c1F.COCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F.COCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride?

The InChIKey is GINYCRMPYRBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O4S.C13H9ClN2.C10H11F2NO5S.C8H7F2NO2.C5H11ClO2S.CH4/c1-33-8-9-34(31,32)29-19-7-6-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-2-4-15(24)5-3-13;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-18-4-5-19(16,17)13-7-3-2-6(11)8(9(7)12)10(14)15;1-13-8(12)6-4(9)2-3-5(11)7(6)10;1-5(2)3-4-9(6,7)8;/h2-7,10-12,29H,8-9H2,1H3,(H,27,28);1-8H,(H,15,16);2-3,13H,4-5H2,1H3,(H,14,15);2-3H,11H2,1H3;5H,3-4H2,1-2H3;1H4.

What are the key properties of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride?

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride has a molecular weight of 1403.72 g/mol, XLogP of 13.29, 19 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methoxyethanesulfonamide;2,6-difluoro-3-(2-methoxyethylsulfonylamino)benzoic acid;methane;methyl 3-amino-2,6-difluorobenzoate;3-methylbutane-1-sulfonyl chloride is sourced from PubChem (CID 158266826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).